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Sergio Decherchi

Technologist - Facility Coordinator
Data Science & Computation Facility
Research center
All Publications
Abate C., Decherchi S., Cavalli A.
Graph neural networks for conditional de novo drug design
Wiley Interdisciplinary Reviews: Computational Molecular Science
Article Journal
Aguti R., Bernetti M., Bosio S., Decherchi S., Cavalli A.
On the allosteric puzzle and pocket crosstalk through computational means
Journal of Chemical Physics, vol. 158, (no. 16)
Article Journal
Decherchi S., Cavalli A.
Optimal Transport for Free Energy Estimation
Journal of Physical Chemistry Letters, vol. 14, (no. 6), pp. 1618-1625
Article Journal
Decherchi S., Ciccotti G., Cavalli A.
Regularized Bennett and Zwanzig free energy estimators
Journal of Chemical Physics, vol. 158, (no. 12)
Article Journal
Aguti R., Gardini E., Bertazzo M., Decherchi S., Cavalli A.
Probabilistic Pocket Druggability Prediction via One-Class Learning
Frontiers in Pharmacology, vol. 13
Article Journal